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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM33216'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33216
PNG
(pyrazolopyridine, (R)-14)
Show SMILES NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1 |r|
Show InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 700n/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)